Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | --MANKELKRGLGARHIQMIALGGTIGVGLFMGSAS--TISWTGPSVLLAYAICGIFIFFIMRA-MGEMLYVEPSTGSFATFGHQYIHPMAGYITAWSNWFQWIIVGMSEIIAVGSYTKYWFPDLPAWIPGIVAMVILGAANLISVKSFGEFEFWFAMIKIVTIILMIIAGIGIIFFGFGNGGDAIGLSNLWSHGGFFAGGFSGFFFALSLVIAAYQGVELIGITAGEAKDPQNTLRNAIQSIIWRILIFYIGAI---FVIVTVYPWDELNSLGSPFVSTFSKIGITAAAGIINFVVITAAMSGCNSGIFSAGRMLYTLGVNGQAPKFFKKISRNGVPLYGTIAVLIGLAVGVVLNYIAPPKIFVYVYSASVLPGMIPWFIILISHIGFRKAKGAALDKHPFKM---PFAPFTNYLTIAFLLMVLVGMWFNDDTRISLIVGVI---FLALVVISYYVFGIGKRTQANLTKSEQAAE |
5E8R Chain:B ((41-375)) | KRERDQLYYECYSDVSVHEEMIADRVRTDAYRLGILRNWAALRGKTVLDVGAGTGILSIFCAQAGARRVYAVEASA---------------------------IWQQAREVVRFNGLEDR-------------VHVLPGPVETVELPEQ------------VDAIVSEWMGYGLLHESM-----------------------------LSSVLHARTKWLKEG-----------------GLLLPASAELFIVPISDQMLEWRLGFWSQVKQHYGVDMSCLEGFATRCLMGHSEIVVQGLSGEDVLAR-----------------PQRFAQLELSRAGLEQELEAGVG------------GRFRCSCYGSAPMHGFAIWFQVTFPG-----------GEKPLVLSTSPFHPATHWKQALLYLNEPVQVEQDTDVSGEITLLPSRDNPRRLRVLLRYKVGDQEEKTKDFAME----- |
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General information:
TITO was launched using:
| RESULT:
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Template: 5E8R.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -439662 for 2556 contacts (-172.0/contact) +
2D Compatibility (PS) -34766 + (NN) -4700 + (LL) 8596
1D Compatibility (HY) -6800 + (ID) 2550
Total energy: -479882.0 ( -187.75 by residue)
QMean score : 0.151
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